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Merge branch 'master' of /home/noisy3/OpenFOAM/OpenFOAM-dev

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This commit is contained in:
mattijs
2010-08-06 16:18:31 +01:00
parent 71c30256a4 c91b71b521
commit 008fe007e5
17 changed files with 533 additions and 200 deletions
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63
applications/utilities/parallelProcessing/reconstructPar/reconstructPar.C
View File

@ -179,23 +179,8 @@ int main(int argc, char *argv[])
// Get list of objects from processor0 database
IOobjectList objects(procMeshes.meshes()[0], databases[0].timeName());
// If there are any FV fields, reconstruct them
if
(
objects.lookupClass(volScalarField::typeName).size()
|| objects.lookupClass(volVectorField::typeName).size()
|| objects.lookupClass(volSphericalTensorField::typeName).size()
|| objects.lookupClass(volSymmTensorField::typeName).size()
|| objects.lookupClass(volTensorField::typeName).size()
|| objects.lookupClass(surfaceScalarField::typeName).size()
|| objects.lookupClass(surfaceVectorField::typeName).size()
|| objects.lookupClass(surfaceSphericalTensorField::typeName).size()
|| objects.lookupClass(surfaceSymmTensorField::typeName).size()
|| objects.lookupClass(surfaceTensorField::typeName).size()
)
{
// If there are any FV fields, reconstruct them
Info<< "Reconstructing FV fields" << nl << endl;
fvFieldReconstructor fvReconstructor
@ -207,6 +192,32 @@ int main(int argc, char *argv[])
procMeshes.boundaryProcAddressing()
);
fvReconstructor.reconstructFvVolumeInternalFields<scalar>
(
objects,
selectedFields
);
fvReconstructor.reconstructFvVolumeInternalFields<vector>
(
objects,
selectedFields
);
fvReconstructor.reconstructFvVolumeInternalFields<sphericalTensor>
(
objects,
selectedFields
);
fvReconstructor.reconstructFvVolumeInternalFields<symmTensor>
(
objects,
selectedFields
);
fvReconstructor.reconstructFvVolumeInternalFields<tensor>
(
objects,
selectedFields
);
fvReconstructor.reconstructFvVolumeFields<scalar>
(
objects,
@ -258,22 +269,13 @@ int main(int argc, char *argv[])
objects,
selectedFields
);
}
else
if (fvReconstructor.nReconstructed() == 0)
{
Info<< "No FV fields" << nl << endl;
}
}
// If there are any point fields, reconstruct them
if
(
objects.lookupClass(pointScalarField::typeName).size()
|| objects.lookupClass(pointVectorField::typeName).size()
|| objects.lookupClass(pointSphericalTensorField::typeName).size()
|| objects.lookupClass(pointSymmTensorField::typeName).size()
|| objects.lookupClass(pointTensorField::typeName).size()
)
{
Info<< "Reconstructing point fields" << nl << endl;
@ -318,11 +320,12 @@ int main(int argc, char *argv[])
objects,
selectedFields
);
}
else
if (pointReconstructor.nReconstructed() == 0)
{
Info<< "No point fields" << nl << endl;
}
}
// If there are any clouds, reconstruct them.

3
src/parallel/reconstruct/reconstruct/fvFieldReconstructor.C
View File

@ -40,7 +40,8 @@ Foam::fvFieldReconstructor::fvFieldReconstructor
procMeshes_(procMeshes),
faceProcAddressing_(faceProcAddressing),
cellProcAddressing_(cellProcAddressing),
boundaryProcAddressing_(boundaryProcAddressing)
boundaryProcAddressing_(boundaryProcAddressing),
nReconstructed_(0)
{}

30
src/parallel/reconstruct/reconstruct/fvFieldReconstructor.H
View File

@ -71,6 +71,9 @@ class fvFieldReconstructor
//- List of processor boundary addressing lists
const PtrList<labelIOList>& boundaryProcAddressing_;
//- Number of fields reconstructed
label nReconstructed_;
// Private Member Functions
@ -134,20 +137,33 @@ public:
// Member Functions
//- Return number of fields reconstructed
label nReconstructed() const
{
return nReconstructed_;
}
//- Reconstruct volume internal field
template<class Type>
tmp<DimensionedField<Type, volMesh> >
reconstructFvVolumeInternalField(const IOobject& fieldIoObject);
//- Reconstruct volume field
template<class Type>
tmp<GeometricField<Type, fvPatchField, volMesh> >
reconstructFvVolumeField
(
const IOobject& fieldIoObject
);
reconstructFvVolumeField(const IOobject& fieldIoObject);
//- Reconstruct surface field
template<class Type>
tmp<GeometricField<Type, fvsPatchField, surfaceMesh> >
reconstructFvSurfaceField
reconstructFvSurfaceField(const IOobject& fieldIoObject);
//- Reconstruct and write all/selected volume internal fields
template<class Type>
void reconstructFvVolumeInternalFields
(
const IOobject& fieldIoObject
const IOobjectList& objects,
const HashSet<word>& selectedFields
);
//- Reconstruct and write all/selected volume fields
@ -158,7 +174,7 @@ public:
const HashSet<word>& selectedFields
);
//- Reconstruct and write all/selected volume fields
//- Reconstruct and write all/selected surface fields
template<class Type>
void reconstructFvSurfaceFields
(

111
src/parallel/reconstruct/reconstruct/fvFieldReconstructorReconstructFields.C
View File

@ -33,6 +33,75 @@ License
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
template<class Type>
Foam::tmp<Foam::DimensionedField<Type, Foam::volMesh> >
Foam::fvFieldReconstructor::reconstructFvVolumeInternalField
(
const IOobject& fieldIoObject
)
{
// Read the field for all the processors
PtrList<DimensionedField<Type, volMesh> > procFields
(
procMeshes_.size()
);
forAll(procMeshes_, procI)
{
procFields.set
(
procI,
new DimensionedField<Type, volMesh>
(
IOobject
(
fieldIoObject.name(),
procMeshes_[procI].time().timeName(),
procMeshes_[procI],
IOobject::MUST_READ,
IOobject::NO_WRITE
),
procMeshes_[procI]
)
);
}
// Create the internalField
Field<Type> internalField(mesh_.nCells());
forAll(procMeshes_, procI)
{
const DimensionedField<Type, volMesh>& procField = procFields[procI];
// Set the cell values in the reconstructed field
internalField.rmap
(
procField.field(),
cellProcAddressing_[procI]
);
}
return tmp<DimensionedField<Type, volMesh> >
(
new DimensionedField<Type, volMesh>
(
IOobject
(
fieldIoObject.name(),
mesh_.time().timeName(),
mesh_,
IOobject::NO_READ,
IOobject::NO_WRITE
),
mesh_,
procFields[0].dimensions(),
internalField
)
);
}
template<class Type>
Foam::tmp<Foam::GeometricField<Type, Foam::fvPatchField, Foam::volMesh> >
Foam::fvFieldReconstructor::reconstructFvVolumeField
@ -451,7 +520,41 @@ Foam::fvFieldReconstructor::reconstructFvSurfaceField
}
// Reconstruct and write all/selected volume fields
template<class Type>
void Foam::fvFieldReconstructor::reconstructFvVolumeInternalFields
(
const IOobjectList& objects,
const HashSet<word>& selectedFields
)
{
const word& fieldClassName = DimensionedField<Type, volMesh>::typeName;
IOobjectList fields = objects.lookupClass(fieldClassName);
if (fields.size())
{
Info<< " Reconstructing " << fieldClassName << "s\n" << endl;
forAllConstIter(IOobjectList, fields, fieldIter)
{
if
(
!selectedFields.size()
|| selectedFields.found(fieldIter()->name())
)
{
Info<< " " << fieldIter()->name() << endl;
reconstructFvVolumeInternalField<Type>(*fieldIter())().write();
nReconstructed_++;
}
}
Info<< endl;
}
}
template<class Type>
void Foam::fvFieldReconstructor::reconstructFvVolumeFields
(
@ -479,13 +582,15 @@ void Foam::fvFieldReconstructor::reconstructFvVolumeFields
Info<< " " << fieldIter()->name() << endl;
reconstructFvVolumeField<Type>(*fieldIter())().write();
nReconstructed_++;
}
}
Info<< endl;
}
}
// Reconstruct and write all/selected surface fields
template<class Type>
void Foam::fvFieldReconstructor::reconstructFvSurfaceFields
(
@ -513,6 +618,8 @@ void Foam::fvFieldReconstructor::reconstructFvSurfaceFields
Info<< " " << fieldIter()->name() << endl;
reconstructFvSurfaceField<Type>(*fieldIter())().write();
nReconstructed_++;
}
}
Info<< endl;

3
src/parallel/reconstruct/reconstruct/pointFieldReconstructor.C
View File

@ -39,7 +39,8 @@ Foam::pointFieldReconstructor::pointFieldReconstructor
procMeshes_(procMeshes),
pointProcAddressing_(pointProcAddressing),
boundaryProcAddressing_(boundaryProcAddressing),
patchPointAddressing_(procMeshes.size())
patchPointAddressing_(procMeshes.size()),
nReconstructed_(0)
{
// Inverse-addressing of the patch point labels.
labelList pointMap(mesh_.size(), -1);

9
src/parallel/reconstruct/reconstruct/pointFieldReconstructor.H
View File

@ -68,6 +68,9 @@ class pointFieldReconstructor
//- Point patch addressing
labelListListList patchPointAddressing_;
//- Number of fields reconstructed
label nReconstructed_;
// Private Member Functions
@ -130,6 +133,12 @@ public:
// Member Functions
//- Return number of fields reconstructed
label nReconstructed() const
{
return nReconstructed_;
}
//- Reconstruct field
template<class Type>
tmp<GeometricField<Type, pointPatchField, pointMesh> >

197
src/thermophysicalModels/chemistryModel/chemistryModel/ODEChemistryModel/ODEChemistryModel.C
View File

@ -93,7 +93,8 @@ Foam::ODEChemistryModel<CompType, ThermoType>::~ODEChemistryModel()
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
template<class CompType, class ThermoType>
Foam::scalarField Foam::ODEChemistryModel<CompType, ThermoType>::omega
Foam::tmp<Foam::scalarField>
Foam::ODEChemistryModel<CompType, ThermoType>::omega
(
const scalarField& c,
const scalar T,
@ -103,7 +104,8 @@ Foam::scalarField Foam::ODEChemistryModel<CompType, ThermoType>::omega
scalar pf, cf, pr, cr;
label lRef, rRef;
scalarField om(nEqns(), 0.0);
tmp<scalarField> tom(new scalarField(nEqns(), 0.0));
scalarField& om = tom();
forAll(reactions_, i)
{
@ -116,20 +118,20 @@ Foam::scalarField Foam::ODEChemistryModel<CompType, ThermoType>::omega
forAll(R.lhs(), s)
{
label si = R.lhs()[s].index;
scalar sl = R.lhs()[s].stoichCoeff;
const label si = R.lhs()[s].index;
const scalar sl = R.lhs()[s].stoichCoeff;
om[si] -= sl*omegai;
}
forAll(R.rhs(), s)
{
label si = R.rhs()[s].index;
scalar sr = R.rhs()[s].stoichCoeff;
const label si = R.rhs()[s].index;
const scalar sr = R.rhs()[s].stoichCoeff;
om[si] += sr*omegai;
}
}
return om;
return tom;
}
@ -149,13 +151,13 @@ Foam::scalar Foam::ODEChemistryModel<CompType, ThermoType>::omega
) const
{
scalarField c2(nSpecie_, 0.0);
for (label i=0; i<nSpecie_; i++)
for (label i = 0; i < nSpecie_; i++)
{
c2[i] = max(0.0, c[i]);
}
scalar kf = R.kf(T, p, c2);
scalar kr = R.kr(kf, T, p, c2);
const scalar kf = R.kf(T, p, c2);
const scalar kr = R.kr(kf, T, p, c2);
pf = 1.0;
pr = 1.0;
@ -167,28 +169,28 @@ Foam::scalar Foam::ODEChemistryModel<CompType, ThermoType>::omega
lRef = R.lhs()[slRef].index;
pf = kf;
for (label s=1; s<Nl; s++)
for (label s = 1; s < Nl; s++)
{
label si = R.lhs()[s].index;
const label si = R.lhs()[s].index;
if (c[si] < c[lRef])
{
scalar exp = R.lhs()[slRef].exponent;
const scalar exp = R.lhs()[slRef].exponent;
pf *= pow(max(0.0, c[lRef]), exp);
lRef = si;
slRef = s;
}
else
{
scalar exp = R.lhs()[s].exponent;
const scalar exp = R.lhs()[s].exponent;
pf *= pow(max(0.0, c[si]), exp);
}
}
cf = max(0.0, c[lRef]);
{
scalar exp = R.lhs()[slRef].exponent;
if (exp<1.0)
const scalar exp = R.lhs()[slRef].exponent;
if (exp < 1.0)
{
if (cf > SMALL)
{
@ -210,27 +212,27 @@ Foam::scalar Foam::ODEChemistryModel<CompType, ThermoType>::omega
// find the matrix element and element position for the rhs
pr = kr;
for (label s=1; s<Nr; s++)
for (label s = 1; s < Nr; s++)
{
label si = R.rhs()[s].index;
const label si = R.rhs()[s].index;
if (c[si] < c[rRef])
{
scalar exp = R.rhs()[srRef].exponent;
const scalar exp = R.rhs()[srRef].exponent;
pr *= pow(max(0.0, c[rRef]), exp);
rRef = si;
srRef = s;
}
else
{
scalar exp = R.rhs()[s].exponent;
const scalar exp = R.rhs()[s].exponent;
pr *= pow(max(0.0, c[si]), exp);
}
}
cr = max(0.0, c[rRef]);
{
scalar exp = R.rhs()[srRef].exponent;
if (exp<1.0)
const scalar exp = R.rhs()[srRef].exponent;
if (exp < 1.0)
{
if (cr>SMALL)
{
@ -259,8 +261,8 @@ void Foam::ODEChemistryModel<CompType, ThermoType>::derivatives
scalarField& dcdt
) const
{
scalar T = c[nSpecie_];
scalar p = c[nSpecie_ + 1];
const scalar T = c[nSpecie_];
const scalar p = c[nSpecie_ + 1];
dcdt = omega(c, T, p);
@ -268,37 +270,37 @@ void Foam::ODEChemistryModel<CompType, ThermoType>::derivatives
// dT/dt = ...
scalar rho = 0.0;
scalar cSum = 0.0;
for (label i=0; i<nSpecie_; i++)
for (label i = 0; i < nSpecie_; i++)
{
scalar W = specieThermo_[i].W();
const scalar W = specieThermo_[i].W();
cSum += c[i];
rho += W*c[i];
}
scalar mw = rho/cSum;
const scalar mw = rho/cSum;
scalar cp = 0.0;
for (label i=0; i<nSpecie_; i++)
{
scalar cpi = specieThermo_[i].cp(T);
scalar Xi = c[i]/rho;
const scalar cpi = specieThermo_[i].cp(T);
const scalar Xi = c[i]/rho;
cp += Xi*cpi;
}
cp /= mw;
scalar dT = 0.0;
for (label i=0; i<nSpecie_; i++)
for (label i = 0; i < nSpecie_; i++)
{
scalar hi = specieThermo_[i].h(T);
const scalar hi = specieThermo_[i].h(T);
dT += hi*dcdt[i];
}
dT /= rho*cp;
// limit the time-derivative, this is more stable for the ODE
// solver when calculating the allowed time step
scalar dtMag = min(500.0, mag(dT));
dcdt[nSpecie_] = -dT*dtMag/(mag(dT) + 1.0e-10);
const scalar dTLimited = min(500.0, mag(dT));
dcdt[nSpecie_] = -dT*dTLimited/(mag(dT) + 1.0e-10);
// dp/dt = ...
dcdt[nSpecie_+1] = 0.0;
dcdt[nSpecie_ + 1] = 0.0;
}
@ -311,11 +313,11 @@ void Foam::ODEChemistryModel<CompType, ThermoType>::jacobian
scalarSquareMatrix& dfdc
) const
{
scalar T = c[nSpecie_];
scalar p = c[nSpecie_ + 1];
const scalar T = c[nSpecie_];
const scalar p = c[nSpecie_ + 1];
scalarField c2(nSpecie_, 0.0);
for (label i=0; i<nSpecie_; i++)
forAll(c2, i)
{
c2[i] = max(c[i], 0.0);
}
@ -335,22 +337,22 @@ void Foam::ODEChemistryModel<CompType, ThermoType>::jacobian
{
const Reaction<ThermoType>& R = reactions_[ri];
scalar kf0 = R.kf(T, p, c2);
scalar kr0 = R.kr(T, p, c2);
const scalar kf0 = R.kf(T, p, c2);
const scalar kr0 = R.kr(T, p, c2);
forAll(R.lhs(), j)
{
label sj = R.lhs()[j].index;
const label sj = R.lhs()[j].index;
scalar kf = kf0;
forAll(R.lhs(), i)
{
label si = R.lhs()[i].index;
scalar el = R.lhs()[i].exponent;
const label si = R.lhs()[i].index;
const scalar el = R.lhs()[i].exponent;
if (i == j)
{
if (el < 1.0)
{
if (c2[si]>SMALL)
if (c2[si] > SMALL)
{
kf *= el*pow(c2[si] + VSMALL, el - 1.0);
}
@ -372,31 +374,31 @@ void Foam::ODEChemistryModel<CompType, ThermoType>::jacobian
forAll(R.lhs(), i)
{
label si = R.lhs()[i].index;
scalar sl = R.lhs()[i].stoichCoeff;
const label si = R.lhs()[i].index;
const scalar sl = R.lhs()[i].stoichCoeff;
dfdc[si][sj] -= sl*kf;
}
forAll(R.rhs(), i)
{
label si = R.rhs()[i].index;
scalar sr = R.rhs()[i].stoichCoeff;
const label si = R.rhs()[i].index;
const scalar sr = R.rhs()[i].stoichCoeff;
dfdc[si][sj] += sr*kf;
}
}
forAll(R.rhs(), j)
{
label sj = R.rhs()[j].index;
const label sj = R.rhs()[j].index;
scalar kr = kr0;
forAll(R.rhs(), i)
{
label si = R.rhs()[i].index;
scalar er = R.rhs()[i].exponent;
if (i==j)
const label si = R.rhs()[i].index;
const scalar er = R.rhs()[i].exponent;
if (i == j)
{
if (er<1.0)
if (er < 1.0)
{
if (c2[si]>SMALL)
if (c2[si] > SMALL)
{
kr *= er*pow(c2[si] + VSMALL, er - 1.0);
}
@ -418,25 +420,25 @@ void Foam::ODEChemistryModel<CompType, ThermoType>::jacobian
forAll(R.lhs(), i)
{
label si = R.lhs()[i].index;
scalar sl = R.lhs()[i].stoichCoeff;
const label si = R.lhs()[i].index;
const scalar sl = R.lhs()[i].stoichCoeff;
dfdc[si][sj] += sl*kr;
}
forAll(R.rhs(), i)
{
label si = R.rhs()[i].index;
scalar sr = R.rhs()[i].stoichCoeff;
const label si = R.rhs()[i].index;
const scalar sr = R.rhs()[i].stoichCoeff;
dfdc[si][sj] -= sr*kr;
}
}
}
// calculate the dcdT elements numerically
scalar delta = 1.0e-8;
scalarField dcdT0 = omega(c2, T - delta, p);
scalarField dcdT1 = omega(c2, T + delta, p);
const scalar delta = 1.0e-8;
const scalarField dcdT0 = omega(c2, T - delta, p);
const scalarField dcdT1 = omega(c2, T + delta, p);
for (label i=0; i<nEqns(); i++)
for (label i = 0; i < nEqns(); i++)
{
dfdc[i][nSpecie()] = 0.5*(dcdT1[i] - dcdT0[i])/delta;
}
@ -485,7 +487,7 @@ Foam::ODEChemistryModel<CompType, ThermoType>::tc() const
scalarField& tc = ttc();
label nReaction = reactions_.size();
const label nReaction = reactions_.size();
if (this->chemistry_)
{
@ -550,6 +552,7 @@ Foam::ODEChemistryModel<CompType, ThermoType>::Sh() const
)
);
if (this->chemistry_)
{
scalarField& Sh = tSh();
@ -558,7 +561,7 @@ Foam::ODEChemistryModel<CompType, ThermoType>::Sh() const
{
forAll(Sh, cellI)
{
scalar hi = specieThermo_[i].Hc();
const scalar hi = specieThermo_[i].Hc();
Sh[cellI] -= hi*RR_[i][cellI];
}
}
@ -626,34 +629,31 @@ void Foam::ODEChemistryModel<CompType, ThermoType>::calculate()
this->thermo().rho()
);
if (this->mesh().changing())
{
for (label i=0; i<nSpecie_; i++)
{
RR_[i].setSize(rho.size());
RR_[i] = 0.0;
}
}
if (this->chemistry_)
{
forAll(rho, celli)
{
const scalar rhoi = rho[celli];
const scalar Ti = this->thermo().T()[celli];
const scalar pi = this->thermo().p()[celli];
scalarField c(nSpecie_, 0.0);
for (label i=0; i<nSpecie_; i++)
{
RR_[i][celli] = 0.0;
}
scalar rhoi = rho[celli];
scalar Ti = this->thermo().T()[celli];
scalar pi = this->thermo().p()[celli];
scalarField c(nSpecie_);
scalarField dcdt(nEqns(), 0.0);
for (label i=0; i<nSpecie_; i++)
{
scalar Yi = Y_[i][celli];
const scalar Yi = Y_[i][celli];
c[i] = rhoi*Yi/specieThermo_[i].W();
}
dcdt = omega(c, Ti, pi);
const scalarField dcdt = omega(c, Ti, pi);
for (label i=0; i<nSpecie_; i++)
{
@ -671,6 +671,8 @@ Foam::scalar Foam::ODEChemistryModel<CompType, ThermoType>::solve
const scalar deltaT
)
{
scalar deltaTMin = GREAT;
const volScalarField rho
(
IOobject
@ -685,35 +687,33 @@ Foam::scalar Foam::ODEChemistryModel<CompType, ThermoType>::solve
this->thermo().rho()
);
for (label i=0; i<nSpecie_; i++)
if (this->mesh().changing())
{
RR_[i].setSize(rho.size());
for (label i = 0; i < nSpecie_; i++)
{
RR_[i].setSize(this->mesh().nCells());
RR_[i] = 0.0;
}
}
if (!this->chemistry_)
{
return GREAT;
return deltaTMin;
}
scalar deltaTMin = GREAT;
tmp<volScalarField> thc = this->thermo().hc();
const scalarField& hc = thc();
forAll(rho, celli)
{
for (label i=0; i<nSpecie_; i++)
{
RR_[i][celli] = 0.0;
}
scalar rhoi = rho[celli];
const scalar rhoi = rho[celli];
const scalar hi = this->thermo().hs()[celli] + hc[celli];
const scalar pi = this->thermo().p()[celli];
scalar Ti = this->thermo().T()[celli];
scalar hi = this->thermo().hs()[celli] + hc[celli];
scalar pi = this->thermo().p()[celli];
scalarField c(nSpecie_);
scalarField c0(nSpecie_);
scalarField c(nSpecie_, 0.0);
scalarField c0(nSpecie_, 0.0);
scalarField dc(nSpecie_, 0.0);
for (label i=0; i<nSpecie_; i++)
@ -722,21 +722,20 @@ Foam::scalar Foam::ODEChemistryModel<CompType, ThermoType>::solve
}
c0 = c;
// initialise timing parameters
scalar t = t0;
scalar tauC = this->deltaTChem_[celli];
scalar dt = min(deltaT, tauC);
scalar timeLeft = deltaT;
// calculate the chemical source terms
scalar cTot = 0.0;
while (timeLeft > SMALL)
{
tauC = solver().solve(c, Ti, pi, t, dt);
t += dt;
// update the temperature
cTot = sum(c);
const scalar cTot = sum(c);
ThermoType mixture(0.0*specieThermo_[0]);
for (label i=0; i<nSpecie_; i++)
{
@ -746,19 +745,11 @@ Foam::scalar Foam::ODEChemistryModel<CompType, ThermoType>::solve
timeLeft -= dt;
this->deltaTChem_[celli] = tauC;
dt = min(timeLeft, tauC);
dt = max(dt, SMALL);
dt = max(SMALL, min(timeLeft, tauC));
}
deltaTMin = min(tauC, deltaTMin);
dc = c - c0;
scalar WTot = 0.0;
for (label i=0; i<nSpecie_; i++)
{
WTot += c[i]*specieThermo_[i].W();
}
WTot /= cTot;
for (label i=0; i<nSpecie_; i++)
{
RR_[i][celli] = dc[i]*specieThermo_[i].W()/deltaT;

2
src/thermophysicalModels/chemistryModel/chemistryModel/ODEChemistryModel/ODEChemistryModel.H
View File

@ -141,7 +141,7 @@ public:
inline const chemistrySolver<CompType, ThermoType>& solver() const;
//- dc/dt = omega, rate of change in concentration, for each species
virtual scalarField omega
virtual tmp<scalarField> omega
(
const scalarField& c,
const scalar T,

40
src/thermophysicalModels/chemistryModel/chemistrySolver/EulerImplicit/EulerImplicit.C
View File

@ -39,7 +39,7 @@ Foam::EulerImplicit<CompType, ThermoType>::EulerImplicit
chemistrySolver<CompType, ThermoType>(model, modelName),
coeffsDict_(model.subDict(modelName + "Coeffs")),
cTauChem_(readScalar(coeffsDict_.lookup("cTauChem"))),
equil_(coeffsDict_.lookup("equilibriumRateLimiter"))
eqRateLimiter_(coeffsDict_.lookup("equilibriumRateLimiter"))
{}
@ -65,12 +65,12 @@ Foam::scalar Foam::EulerImplicit<CompType, ThermoType>::solve
const label nSpecie = this->model_.nSpecie();
simpleMatrix<scalar> RR(nSpecie, 0, 0);
for (label i=0; i<nSpecie; i++)
for (label i = 0; i < nSpecie; i++)
{
c[i] = max(0.0, c[i]);
}
for (label i=0; i<nSpecie; i++)
for (label i = 0; i < nSpecie; i++)
{
RR.source()[i] = c[i]/dt;
}
@ -88,9 +88,9 @@ Foam::scalar Foam::EulerImplicit<CompType, ThermoType>::solve
);
scalar corr = 1.0;
if (equil_)
if (eqRateLimiter_)
{
if (omegai<0.0)
if (omegai < 0.0)
{
corr = 1.0/(1.0 + pr*dt);
}
@ -100,31 +100,31 @@ Foam::scalar Foam::EulerImplicit<CompType, ThermoType>::solve
}
}
forAll(R.lhs(), s)
forAll(R.lhs(), specieI)
{
label si = R.lhs()[s].index;
scalar sl = R.lhs()[s].stoichCoeff;
RR[si][rRef] -= sl*pr*corr;
RR[si][lRef] += sl*pf*corr;
const label id = R.lhs()[specieI].index;
const scalar sc = R.lhs()[specieI].stoichCoeff;
RR[id][rRef] -= sc*pr*corr;
RR[id][lRef] += sc*pf*corr;
}
forAll(R.rhs(), s)
forAll(R.rhs(), specieI)
{
label si = R.rhs()[s].index;
scalar sr = R.rhs()[s].stoichCoeff;
RR[si][lRef] -= sr*pf*corr;
RR[si][rRef] += sr*pr*corr;
const label id = R.rhs()[specieI].index;
const scalar sc = R.rhs()[specieI].stoichCoeff;
RR[id][lRef] -= sc*pf*corr;
RR[id][rRef] += sc*pr*corr;
}
}
for (label i=0; i<nSpecie; i++)
for (label i = 0; i < nSpecie; i++)
{
RR[i][i] += 1.0/dt;
}
c = RR.LUsolve();
for (label i=0; i<nSpecie; i++)
for (label i = 0; i < nSpecie; i++)
{
c[i] = max(0.0, c[i]);
}
@ -134,7 +134,7 @@ Foam::scalar Foam::EulerImplicit<CompType, ThermoType>::solve
const label nEqns = this->model_.nEqns();
scalarField c1(nEqns, 0.0);
for (label i=0; i<nSpecie; i++)
for (label i = 0; i < nSpecie; i++)
{
c1[i] = c[i];
}
@ -144,9 +144,9 @@ Foam::scalar Foam::EulerImplicit<CompType, ThermoType>::solve
scalarField dcdt(nEqns, 0.0);
this->model_.derivatives(0.0, c1, dcdt);
scalar sumC = sum(c);
const scalar sumC = sum(c);
for (label i=0; i<nSpecie; i++)
for (label i = 0; i < nSpecie; i++)
{
scalar d = dcdt[i];
if (d < -SMALL)

7
src/thermophysicalModels/chemistryModel/chemistrySolver/EulerImplicit/EulerImplicit.H
View File

@ -57,12 +57,17 @@ class EulerImplicit
{
// Private data
//- Coefficients dictionary
dictionary coeffsDict_;
// Model constants
//- Chemistry timescale
scalar cTauChem_;
Switch equil_;
//- Equilibrium rate limiter flag (on/off)
Switch eqRateLimiter_;
public:

26
src/thermophysicalModels/chemistryModel/chemistrySolver/chemistrySolver/makeChemistrySolvers.C
View File

@ -29,6 +29,8 @@ License
#include "psiChemistryModel.H"
#include "rhoChemistryModel.H"
#include "noChemistrySolver.H"
#include "EulerImplicit.H"
#include "ode.H"
#include "sequential.H"
@ -38,12 +40,24 @@ License
namespace Foam
{
makeChemistrySolver(psiChemistryModel, gasThermoPhysics)
makeChemistrySolverType
(
noChemistrySolver,
psiChemistryModel,
gasThermoPhysics
)
makeChemistrySolverType(EulerImplicit, psiChemistryModel, gasThermoPhysics)
makeChemistrySolverType(ode, psiChemistryModel, gasThermoPhysics)
makeChemistrySolverType(sequential, psiChemistryModel, gasThermoPhysics)
makeChemistrySolver(psiChemistryModel, icoPoly8ThermoPhysics)
makeChemistrySolverType
(
noChemistrySolver,
psiChemistryModel,
icoPoly8ThermoPhysics
)
makeChemistrySolverType
(
EulerImplicit,
psiChemistryModel,
@ -58,12 +72,24 @@ namespace Foam
)
makeChemistrySolver(rhoChemistryModel, gasThermoPhysics)
makeChemistrySolverType
(
noChemistrySolver,
rhoChemistryModel,
gasThermoPhysics
)
makeChemistrySolverType(EulerImplicit, rhoChemistryModel, gasThermoPhysics)
makeChemistrySolverType(ode, rhoChemistryModel, gasThermoPhysics)
makeChemistrySolverType(sequential, rhoChemistryModel, gasThermoPhysics)
makeChemistrySolver(rhoChemistryModel, icoPoly8ThermoPhysics)
makeChemistrySolverType
(
noChemistrySolver,
rhoChemistryModel,
icoPoly8ThermoPhysics
)
makeChemistrySolverType
(
EulerImplicit,
rhoChemistryModel,

66
src/thermophysicalModels/chemistryModel/chemistrySolver/noChemistrySolver/noChemistrySolver.C Normal file
View File

@ -0,0 +1,66 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
\\ / A nd | Copyright (C) 2010-2010 OpenCFD Ltd.
\\/ M anipulation |
-------------------------------------------------------------------------------
License
This file is part of OpenFOAM.
OpenFOAM is free software; you can redistribute it and/or modify it
under the terms of the GNU General Public License as published by the
Free Software Foundation; either version 2 of the License, or (at your
option) any later version.
OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
for more details.
You should have received a copy of the GNU General Public License
along with OpenFOAM; if not, write to the Free Software Foundation,
Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
\*---------------------------------------------------------------------------*/
#include "noChemistrySolver.H"
#include "addToRunTimeSelectionTable.H"
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
template<class CompType, class ThermoType>
Foam::noChemistrySolver<CompType, ThermoType>::noChemistrySolver
(
ODEChemistryModel<CompType, ThermoType>& model,
const word& modelName
)
:
chemistrySolver<CompType, ThermoType>(model, modelName)
{}
// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * //
template<class CompType, class ThermoType>
Foam::noChemistrySolver<CompType, ThermoType>::~noChemistrySolver()
{}
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
template<class CompType, class ThermoType>
Foam::scalar Foam::noChemistrySolver<CompType, ThermoType>::solve
(
scalarField&,
const scalar,
const scalar,
const scalar,
const scalar
) const
{
return GREAT;
}
// ************************************************************************* //

110
src/thermophysicalModels/chemistryModel/chemistrySolver/noChemistrySolver/noChemistrySolver.H Normal file
View File

@ -0,0 +1,110 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
\\ / A nd | Copyright (C) 2010-2010 OpenCFD Ltd.
\\/ M anipulation |
-------------------------------------------------------------------------------
License
This file is part of OpenFOAM.
OpenFOAM is free software; you can redistribute it and/or modify it
under the terms of the GNU General Public License as published by the
Free Software Foundation; either version 2 of the License, or (at your
option) any later version.
OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
for more details.
You should have received a copy of the GNU General Public License
along with OpenFOAM; if not, write to the Free Software Foundation,
Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
Class
Foam::noChemistry
Description
Dummy chemistry solver for 'none' option
SourceFiles
noChemistrySolver.H
noChemistrySolver.C
\*---------------------------------------------------------------------------*/
#ifndef noChemistySolver_H
#define noChemistySolver_H
#include "chemistrySolver.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
{
// Forward declaration of classes
template<class CompType, class ThermoType>
class noChemistrySolver;
/*---------------------------------------------------------------------------*\
Class noChemistrySolver Declaration
\*---------------------------------------------------------------------------*/
template<class CompType, class ThermoType>
class noChemistrySolver
:
public chemistrySolver<CompType, ThermoType>
{
public:
//- Runtime type information
TypeName("none");
// Constructors
//- Construct from components
noChemistrySolver
(
ODEChemistryModel<CompType, ThermoType>& model,
const word& modelName
);
//- Destructor
virtual ~noChemistrySolver();
// Member Functions
//- Update the concentrations and return the chemical time
scalar solve
(
scalarField &c,
const scalar T,
const scalar p,
const scalar t0,
const scalar dt
) const;
};
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#ifdef NoRepository
# include "noChemistrySolver.C"
#endif
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#endif
// ************************************************************************* //

5
src/thermophysicalModels/chemistryModel/chemistrySolver/ode/ode.C
View File

@ -39,8 +39,7 @@ Foam::ode<CompType, ThermoType>::ode
coeffsDict_(model.subDict(modelName + "Coeffs")),
solverName_(coeffsDict_.lookup("ODESolver")),
odeSolver_(ODESolver::New(solverName_, model)),
eps_(readScalar(coeffsDict_.lookup("eps"))),
scale_(readScalar(coeffsDict_.lookup("scale")))
eps_(readScalar(coeffsDict_.lookup("eps")))
{}
@ -67,7 +66,7 @@ Foam::scalar Foam::ode<CompType, ThermoType>::solve
scalarField c1(this->model_.nEqns(), 0.0);
// copy the concentration, T and P to the total solve-vector
for (label i=0; i<nSpecie; i++)
for (label i = 0; i < nSpecie; i++)
{
c1[i] = c[i];
}

1
src/thermophysicalModels/chemistryModel/chemistrySolver/ode/ode.H
View File

@ -65,7 +65,6 @@ class ode
// Model constants
scalar eps_;
scalar scale_;
public:

42
src/thermophysicalModels/chemistryModel/chemistrySolver/sequential/sequential.C
View File

@ -38,7 +38,7 @@ Foam::sequential<CompType, ThermoType>::sequential
chemistrySolver<CompType, ThermoType>(model, modelName),
coeffsDict_(model.subDict(modelName + "Coeffs")),
cTauChem_(readScalar(coeffsDict_.lookup("cTauChem"))),
equil_(coeffsDict_.lookup("equilibriumRateLimiter"))
eqRateLimiter_(coeffsDict_.lookup("equilibriumRateLimiter"))
{}
@ -70,45 +70,41 @@ Foam::scalar Foam::sequential<CompType, ThermoType>::solve
{
const Reaction<ThermoType>& R = this->model_.reactions()[i];
scalar om0 = this->model_.omega
scalar omega = this->model_.omega
(
R, c, T, p, pf, cf, lRef, pb, cb, rRef
);
scalar omeg = 0.0;
if (!equil_)
if (eqRateLimiter_)
{
omeg = om0;
if (omega < 0.0)
{
omega /= 1.0 + pb*dt;
}
else
{
if (om0<0.0)
{
omeg = om0/(1.0 + pb*dt);
}
else
{
omeg = om0/(1.0 + pf*dt);
omega /= 1.0 + pf*dt;
}
}
tChemInv = max(tChemInv, mag(omeg));
tChemInv = max(tChemInv, mag(omega));
// update species
forAll(R.lhs(), s)
forAll(R.lhs(), specieI)
{
label si = R.lhs()[s].index;
scalar sl = R.lhs()[s].stoichCoeff;
c[si] -= dt*sl*omeg;
c[si] = max(0.0, c[si]);
const label id = R.lhs()[specieI].index;
const scalar sc = R.lhs()[specieI].stoichCoeff;
c[id] -= dt*sc*omega;
c[id] = max(0.0, c[id]);
}
forAll(R.rhs(), s)
forAll(R.rhs(), specieI)
{
label si = R.rhs()[s].index;
scalar sr = R.rhs()[s].stoichCoeff;
c[si] += dt*sr*omeg;
c[si] = max(0.0, c[si]);
const label id = R.rhs()[specieI].index;
const scalar sc = R.rhs()[specieI].stoichCoeff;
c[id] += dt*sc*omega;
c[id] = max(0.0, c[id]);
}
}

8
src/thermophysicalModels/chemistryModel/chemistrySolver/sequential/sequential.H
View File

@ -59,12 +59,17 @@ class sequential
{
// Private data
//- Coefficients dictionary
dictionary coeffsDict_;
// Model constants
//- Chemistry time scale
scalar cTauChem_;
Switch equil_;
//- Equilibrium rate limiter flag (on/off)
Switch eqRateLimiter_;
public:
@ -75,7 +80,6 @@ public:
// Constructors
//- Construct from components
sequential
(